Pedunculin
TL;DR: Pedunculin (CAS 2798-22-3) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Also Known As: Pedunculin, Pedunculine, 8-OH-salvigenin, 8-hydroxysalvigenin, 8-hydroxy-salvigenin
| Molecular Formula | C18H16O7 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.897 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0896 |
| Heavy Atoms | 25 |
| Complexity | 987.2077 |
Chemical Identifiers
| CAS Number | 2798-22-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)OC)O |
Product Overview
Pedunculin (CAS 2798-22-3), with molecular formula C18H16O7 and molecular weight 344.09 g/mol. IUPAC: 5,8-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.
Chemical Property Profile of Pedunculin
Property Insights of Pedunculin
The XLogP value of 2.897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pedunculin. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Pedunculin. Following Lipinski's Rule of Five, Pedunculin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pedunculin?
The CAS number of Pedunculin is 2798-22-3.
What is the molecular formula of Pedunculin?
The molecular formula of Pedunculin is C18H16O7.
What is the molecular weight of Pedunculin?
The molecular weight of Pedunculin is 344.09 g/mol.
Where can I buy Pedunculin?
You can request a quote for Pedunculin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pedunculin?
Yes, KEHONG BIO provides custom synthesis services for Pedunculin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.